Dual Role of a Novel Thiazolidine-Silane Hybrid in Environmental Monitoring of Ni(II) and Its Diverse In Vitro and In Vivo Therapeutic Applications

Abstract

In this article, we synthesized and characterized thiazolidine-appended silane, TZDVS (thiazolidine silane), as an efficient UV–visible chemo-sensor for the detection of Ni(II). TZDVS was characterized using various spectroscopic techniques, including NMR (¹H, ¹³C), FT-IR spectroscopy, and mass spectrometry. The limit of detection (LOD) for Ni(II) was determined to be 6.7 × 10⁻⁹ M, with an association constant (Ka) of 0.0630 × 10⁶ M⁻¹. Job's plot analysis indicated a 1:1 metal-to-ligand binding stoichiometry. Density functional theory (DFT) analysis provided theoretical insights into the complexation of TZDVS with Ni(II), while FT-IR confirmed the formation of the TZDVS-Ni(II) complex experimentally. Thermogravimetric analysis (TGA) confirmed the high thermal stability of TZDVS. Moreover, TZDVS exhibited notable anticancer (against HeLa cells) and antibacterial properties (against Staphylococcus aureus and Bacillus subtilis). Molecular docking studies with the protein (PDB ID: 3RCD) revealed a favorable binding score of −7.13 kcal/mol⁻¹, and real sample analysis disclosed its high potency to detect Ni(II) ions.